Any comments and suggestions are welcome. in particular I'd like to
know: how/if restraints be added in modeller based on SAXS data? And if
it really is a very bad idea to use this unsupported functionality?
All of our recent SAXS work is in IMP, not Modeller, so it's not a great
idea to use the Modeller code. If you want to build models then filter
against SAXS data, FoXS is definitely the way to go. You can certainly
include SAXS as a restraint during modeling, but it's expensive to evaluate.
The slides you referenced pull in various parts of the IMP
documentation. For example, the section on FoXS is largely based on the
example in the IMP manual: